A0A075B5S9_MOUSE Loading...

Immunoglobulin heavy variable 9-4

AlphaFold DB , UniProt , Accession A0A075B5S9, Species MOUSE (Mus musculus, Mouse), Gene Ighv9-4, Length 98 aa.

						>A0A075B5S9_MOUSE|A0A075B5S9|Ighv9-4
QIQLVQSGPELKKPGETVKISCKASGYTFTTAGMQWVQKMPGKGFKWIGWINTHSGEPKYAEDFKGRFAFSLETSASTAYLQISNLKNEDTATYFCAR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	Q	90.2	Very high	96.3	Very high	209 Å²	209	102.6 Å²	102.6	98%	0.977	57%	0.565	S	S	*	*				0	139.4	0	-178.9	176.3	-6.6	0	0	108.4
2	I	94.2	Very high	96.4	Very high	88 Å²	88	101.5 Å²	101.5	45%	0.451	55%	0.55	S	S	.	*			trans	-80.4	139.8	179.1	-64.5	167.8	0	0	0	109.3	S25 Y27	I2-S25 WeakPolarHBondContact CA-O 3.33Å; I2-Y27 HydrophobicContact CB-CD1 4.41Å; I2-Y27 HydrophobicContact CD1-CD1 4.47Å; I2-Y27 HydrophobicContact CG1-CD1 4.02Å; I2-Y27 HydrophobicContact CG2-CD1 3.73Å; I2-Y27 HydrophobicContact CG2-CE1 3.83Å
3	Q	97.8	Very high	96.4	Very high	112 Å²	112	105.6 Å²	105.6	52%	0.523	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.1	138.2	174.7	-65.1	-176.9	-9.6	0	0	110.9	A24 S25	Q3-A24 WeakPolarHBondContact O-CA 3.39Å; Q3-S25 PolarHBondContact N-O 3.11Å; Q3-S25 PolarHBondContact O-N 3.09Å
4	L	98.2	Very high	96.4	Very high	57 Å²	57	104.1 Å²	104.1	30%	0.298	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.1	124	172.4	-59.9	-177.5	0	0	0	108.2	K23 A24 Y27 M34	L4-K23 CarbonylContact C-O 3.55Å; L4-K23 WeakPolarHBondContact CA-O 3.25Å; L4-A24 HydrophobicContact CD2-CB 3.55Å; L4-Y27 HydrophobicContact CD2-CE1 4.49Å; L4-M34 HydrophobicContact CD1-SD 4.47Å; L4-M34 HydrophobicContact CD2-CE 3.87Å
5	V	98.5	Very high	96.4	Very high	91 Å²	91	100.1 Å²	100.1	55%	0.552	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.7	116.4	-179.1	-178.6	0	0	0	0	108.7	C22 K23	V5-C22 WeakPolarHBondContact O-CA 3.37Å; V5-K23 PolarHBondContact N-O 3.41Å; V5-K23 PolarHBondContact O-N 3.14Å
6	Q	98.6	Very high	96.5	Very high	63 Å²	63	99.2 Å²	99.2	29%	0.294	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	155	-179.7	-71.3	-175.8	-129.9	0	0	112.5	S21 C22 Y94 C96	Q6-S21 CarbonylContact C-O 3.59Å; Q6-S21 WeakPolarHBondContact CA-O 3.31Å; Q6-C22 HydrophobicContact CG-CB 4.19Å; Q6-Y94 PolarHBondContact NE2-O 3.28Å; Q6-C96 WeakPolarHBondContact CG-SG 3.49Å
7	S	98	Very high	96.6	Very high	36 Å²	36	97.2 Å²	97.2	25%	0.252	53%	0.534	S	S	.	.			trans	-58.5	155.9	165.2	56.6	0	0	0	0	111.3	I20 S21	S7-I20 WeakPolarHBondContact OG-CA 3.37Å; S7-I20 WeakPolarHBondContact OG-CG2 3.41Å; S7-S21 WeakPolarHBondContact CB-OG 3.41Å; S7-S21 PolarHBondContact N-O 2.84Å; S7-S21 PolarHBondContact OG-N 3.44Å
8	G	96.4	Very high	96.7	Very high	54 Å²	54	92.6 Å²	92.6	56%	0.557	51%	0.509	S	S	*	.			trans	-65.3	177.8	177.4	0	0	0	0	0	114
9	P	96.3	Very high	96.8	Very high	142 Å²	142	93.1 Å²	93.1	92%	0.922	51%	0.506	S	S	*	.			trans	-64.4	143.4	176.3	28.8	-34.8	0	0	0	111.2
10	E	95.7	Very high	96.9	Very high	107 Å²	107	89.4 Å²	89.4	50%	0.5	49%	0.485	S	S	.	.			trans	-121.8	126.2	-179.8	-74.2	-80.5	-178.7	0	0	109.1	K12 V18	E10-K12 WeakPolarHBondContact OE2-CE 3.48Å; E10-K12 IonicContact OE2-NZ 3.93Å; E10-V18 HydrophobicContact CB-CG2 3.62Å; E10-V18 HydrophobicContact CG-CG2 3.83Å
11	L	95.9	Very high	97	Very high	170 Å²	170	86.6 Å²	86.6	89%	0.89	47%	0.473	S	S	*	.			trans	-103.6	115.6	172.6	-176.8	63.7	0	0	0	108.8
12	K	96.6	Very high	97.4	Very high	89 Å²	89	76.7 Å²	76.7	39%	0.387	43%	0.426	S	S	.	.			trans	-130.3	155.9	-178.5	-63.3	-64.2	-177.5	-178	0	110.5	E10 E16 V18 L86	E10-K12 WeakPolarHBondContact OE2-CE 3.48Å; E10-K12 IonicContact OE2-NZ 3.93Å; K12-E16 HydrophobicContact CB-CB 4.31Å; K12-V18 HydrophobicContact CG-CB 4.24Å; K12-L86 HydrophobicContact CB-CD1 3.56Å; K12-L86 HydrophobicContact CG-CD1 4.12Å
13	K	96.3	Very high	97.6	Very high	155 Å²	155	78.2 Å²	78.2	67%	0.674	43%	0.43	S	S	*	.			trans	-85.1	156.3	174	-62.9	175.5	-176.9	176	0	110.4	E16	K13-E16 HydrophobicContact CB-CG 4.26Å; K13-E16 WeakPolarHBondContact CB-OE2 3Å; K13-E16 PolarHBondContact N-OE2 3.41Å; K13-E16 WeakPolarHBondContact O-CB 3.4Å; K13-E16 PolarHBondContact O-N 2.88Å
14	P	96.3	Very high	97.6	Very high	85 Å²	85	73.1 Å²	73.1	55%	0.552	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	142.8	169.4	-26.5	36.2	0	0	0	112.1	E16 L86 N88	P14-E16 VanDerWaalsContact C-N 3.26Å; P14-E16 PolarHBondContact O-N 3.2Å; P14-L86 CarbonylContact C-O 3.52Å; P14-L86 VanDerWaalsContact CA-O 3.25Å; P14-L86 WeakPolarHBondContact CA-O 3.38Å; P14-N88 WeakPolarHBondContact CG-OD1 3.35Å
15	G	97.4	Very high	97.6	Very high	44 Å²	44	72.8 Å²	72.8	45%	0.454	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-19.6	-176.3	0	0	0	0	0	114.8	L86	G15-L86 PolarHBondContact N-O 2.97Å
16	E	98.3	Very high	97.5	Very high	85 Å²	85	71.1 Å²	71.1	40%	0.397	41%	0.411	S	S	.	.			trans	-72.7	173.9	175.3	-64	-168.2	100.3	0	0	112.1	K12 K13 P14 N85 L86	K12-E16 HydrophobicContact CB-CB 4.31Å; K13-E16 HydrophobicContact CB-CG 4.26Å; K13-E16 WeakPolarHBondContact CB-OE2 3Å; K13-E16 PolarHBondContact N-OE2 3.41Å; K13-E16 WeakPolarHBondContact O-CB 3.4Å; K13-E16 PolarHBondContact O-N 2.88Å; P14-E16 VanDerWaalsContact C-N 3.26Å; P14-E16 PolarHBondContact O-N 3.2Å; E16-N85 PolarHBondContact O-N 3.39Å; E16-L86 WeakPolarHBondContact O-CB 3.17Å; E16-L86 VanDerWaalsContact O-CG 3.31Å; E16-L86 WeakPolarHBondContact O-CG 3.33Å; E16-L86 PolarHBondContact O-N 3.42Å
17	T	98.1	Very high	97.4	Very high	66 Å²	66	70.2 Å²	70.2	41%	0.405	41%	0.405	S	S	.	.			trans	-113.4	138.3	174.1	-62.3	0	0	0	0	109.5	Q82 I83	T17-Q82 HydrophobicContact CG2-CG 3.48Å; T17-Q82 VanDerWaalsContact CG2-CG 3.48Å; T17-I83 VanDerWaalsContact CA-O 3.3Å; T17-I83 WeakPolarHBondContact CA-O 3.49Å; T17-I83 WeakPolarHBondContact CG2-O 3.3Å
18	V	98.1	Very high	97.3	Very high	13 Å²	13	72.7 Å²	72.7	8%	0.079	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.3	170	65.1	0	0	0	0	110	E10 K12 I20 Q82 I83 L86	E10-V18 HydrophobicContact CB-CG2 3.62Å; E10-V18 HydrophobicContact CG-CG2 3.83Å; K12-V18 HydrophobicContact CG-CB 4.24Å; V18-I20 HydrophobicContact CG2-CG1 4.3Å; V18-Q82 WeakPolarHBondContact O-CA 3.42Å; V18-I83 HydrophobicContact CG1-CB 3.89Å; V18-I83 HydrophobicContact CG1-CD1 4.07Å; V18-I83 HydrophobicContact CG1-CG1 4.12Å; V18-I83 PolarHBondContact N-O 2.86Å; V18-I83 PolarHBondContact O-N 2.81Å; V18-L86 HydrophobicContact CB-CD1 4.06Å; V18-L86 HydrophobicContact CG1-CD1 3.99Å; V18-L86 HydrophobicContact CG1-CD2 3.98Å; V18-L86 HydrophobicContact CG1-CG 4.37Å
19	K	98.2	Very high	97.3	Very high	102 Å²	102	70.5 Å²	70.5	44%	0.443	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	116.2	174.6	-170.9	176.5	-177.7	-179.2	0	109.5	Y80 L81	K19-Y80 HydrophobicContact CD-CD1 4.35Å; K19-Y80 VanDerWaalsContact CE-CD1 3.5Å; K19-Y80 VanDerWaalsContact CE-CG 3.48Å; K19-Y80 HydrophobicContact CG-CD1 4.27Å; K19-L81 CarbonylContact C-O 3.47Å; K19-L81 WeakPolarHBondContact CA-O 3.41Å
20	I	98.6	Very high	97.4	Very high	19 Å²	19	65.8 Å²	65.8	10%	0.097	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.7	-178.9	-55.6	176.2	0	0	0	107.5	S7 V18 W36 Y80 L81 Y94	S7-I20 WeakPolarHBondContact OG-CA 3.37Å; S7-I20 WeakPolarHBondContact OG-CG2 3.41Å; V18-I20 HydrophobicContact CG2-CG1 4.3Å; I20-W36 HydrophobicContact CG2-CH2 4.2Å; I20-W36 HydrophobicContact CG2-CZ3 4.01Å; I20-Y80 CarbonylContact O-C 3.59Å; I20-Y80 WeakPolarHBondContact O-CA 3.18Å; I20-L81 HydrophobicContact CB-CB 4.36Å; I20-L81 PolarHBondContact N-O 2.94Å; I20-L81 PolarHBondContact O-N 2.88Å; I20-Y94 HydrophobicContact CD1-CD2 3.66Å; I20-Y94 HydrophobicContact CD1-CG 3.75Å
21	S	98.6	Very high	97.4	Very high	32 Å²	32	65.2 Å²	65.2	22%	0.224	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	153.9	175	71.1	0	0	0	0	111.4	Q6 S7 A79 Y80	Q6-S21 CarbonylContact C-O 3.59Å; Q6-S21 WeakPolarHBondContact CA-O 3.31Å; S7-S21 WeakPolarHBondContact CB-OG 3.41Å; S7-S21 PolarHBondContact N-O 2.84Å; S7-S21 PolarHBondContact OG-N 3.44Å; S21-A79 CarbonylContact C-O 3.54Å; S21-A79 WeakPolarHBondContact CA-O 3.45Å; S21-Y80 VanDerWaalsContact CB-CE1 3.46Å
22	C	98.7	Very high	97.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	102.5	171.6	176.4	0	0	0	0	109.1	V5 Q6 W36 T78 A79 C96	V5-C22 WeakPolarHBondContact O-CA 3.37Å; Q6-C22 HydrophobicContact CG-CB 4.19Å; C22-W36 HydrophobicContact CB-CH2 3.59Å; C22-W36 HydrophobicContact CB-CZ2 3.96Å; C22-W36 HydrophobicContact CB-CZ3 4.43Å; C22-T78 WeakPolarHBondContact O-CA 3.47Å; C22-A79 PolarHBondContact N-O 2.84Å; C22-A79 PolarHBondContact O-N 2.82Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.3Å; C22-C96 WeakPolarHBondContact SG-CB 3.34Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.17Å
23	K	98.5	Very high	97.1	Very high	120 Å²	120	55 Å²	55	52%	0.522	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.1	176.6	-175.6	171.8	-175.4	176.9	0	109.9	L4 V5 T78	L4-K23 CarbonylContact C-O 3.55Å; L4-K23 WeakPolarHBondContact CA-O 3.25Å; V5-K23 PolarHBondContact N-O 3.41Å; V5-K23 PolarHBondContact O-N 3.14Å; K23-T78 HydrophobicContact CB-CG2 4.49Å
24	A	98.3	Very high	97.2	Very high	5 Å²	5	47.6 Å²	47.6	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.4	-178.1	0	0	0	0	0	111.6	Q3 L4 Y27 F29 M34 S77	Q3-A24 WeakPolarHBondContact O-CA 3.39Å; L4-A24 HydrophobicContact CD2-CB 3.55Å; A24-Y27 HydrophobicContact CB-CE1 3.69Å; A24-Y27 WeakPolarHBondContact CB-OH 3.35Å; A24-F29 HydrophobicContact CB-CD2 3.72Å; A24-F29 HydrophobicContact CB-CE2 3.94Å; A24-M34 HydrophobicContact CB-CE 4.24Å; A24-S77 PolarHBondContact N-O 2.72Å; A24-S77 WeakPolarHBondContact O-CB 3.49Å
25	S	97.8	Very high	97.3	Very high	51 Å²	51	47 Å²	47	36%	0.357	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	166.2	176.1	63.5	0	0	0	0	111.7	I2 Q3 Y27	I2-S25 WeakPolarHBondContact CA-O 3.33Å; Q3-S25 PolarHBondContact N-O 3.11Å; Q3-S25 PolarHBondContact O-N 3.09Å; S25-Y27 WeakPolarHBondContact O-CD1 3.42Å
26	G	96.9	Very high	97.4	Very high	56 Å²	56	45 Å²	45	58%	0.577	26%	0.261	S	S	*	.	S	Bend	trans	83.2	13.5	-178.7	0	0	0	0	0	114.8
27	Y	95.6	Very high	97.4	Very high	43 Å²	43	42.1 Å²	42.1	17%	0.169	25%	0.249	C	C	.	.	S	Bend	trans	-162.7	169.4	173.3	69.8	-87.2	0	0	0	111.4	I2 L4 A24 S25 F29 R98	I2-Y27 HydrophobicContact CB-CD1 4.41Å; I2-Y27 HydrophobicContact CD1-CD1 4.47Å; I2-Y27 HydrophobicContact CG1-CD1 4.02Å; I2-Y27 HydrophobicContact CG2-CD1 3.73Å; I2-Y27 HydrophobicContact CG2-CE1 3.83Å; L4-Y27 HydrophobicContact CD2-CE1 4.49Å; A24-Y27 HydrophobicContact CB-CE1 3.69Å; A24-Y27 WeakPolarHBondContact CB-OH 3.35Å; S25-Y27 WeakPolarHBondContact O-CD1 3.42Å; Y27-F29 VanDerWaalsContact CE2-CA 3.43Å; Y27-F29 HydrophobicContact CE2-CD2 4.37Å; Y27-F29 PolarHBondContact O-N 2.93Å; Y27-R98 VanDerWaalsContact CB-NH1 3.31Å; Y27-R98 VanDerWaalsContact CG-CZ 3.48Å; Y27-R98 WeakPolarHBondContact OH-CD 3.44Å
28	T	96.8	Very high	97.4	Very high	89 Å²	89	39.3 Å²	39.3	55%	0.546	23%	0.232	S	C	.	.			trans	-72.5	103.6	172.7	-51.5	0	0	0	0	111	T30 T31	T28-T30 PolarHBondContact O-N 3.21Å; T28-T31 HydrophobicContact CG2-CG2 3.72Å; T28-T31 PolarHBondContact O-N 2.79Å; T28-T31 VanDerWaalsContact O-N 3.07Å; T28-T31 PolarHBondContact O-OG1 2.8Å
29	F	96.7	Very high	97.4	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.031	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-47.1	-45.9	-170.9	-178.4	-119.3	0	0	0	113.9	A24 Y27 T31 M34 T53 L72 T74 S77 A79	A24-F29 HydrophobicContact CB-CD2 3.72Å; A24-F29 HydrophobicContact CB-CE2 3.94Å; Y27-F29 VanDerWaalsContact CE2-CA 3.43Å; Y27-F29 HydrophobicContact CE2-CD2 4.37Å; Y27-F29 PolarHBondContact O-N 2.93Å; F29-T31 VanDerWaalsContact C-N 3.27Å; F29-T31 PolarHBondContact O-N 2.78Å; F29-M34 HydrophobicContact CE2-CE 4.14Å; F29-T53 HydrophobicContact CD2-CG2 4.41Å; F29-T53 HydrophobicContact CE1-CG2 4.1Å; F29-T53 HydrophobicContact CE2-CG2 3.92Å; F29-T53 HydrophobicContact CZ-CG2 3.76Å; F29-T53 WeakPolarHBondContact O-CB 3.39Å; F29-T53 PolarHBondContact O-OG1 2.96Å; F29-L72 HydrophobicContact CE1-CD2 4.27Å; F29-L72 HydrophobicContact CZ-CD2 3.89Å; F29-T74 HydrophobicContact CD1-CG2 4.42Å; F29-S77 WeakPolarHBondContact CB-OG 3.39Å; F29-A79 HydrophobicContact CZ-CB 4.29Å
30	T	97.3	Very high	97.2	Very high	43 Å²	43	38.4 Å²	38.4	26%	0.264	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-71.8	-3.9	-174.2	52.8	0	0	0	0	115.5	T28 A32 T53 H54 T74	T28-T30 PolarHBondContact O-N 3.21Å; T30-A32 VanDerWaalsContact C-N 3.34Å; T30-A32 PolarHBondContact O-N 2.98Å; T30-T53 VanDerWaalsContact C-OG1 3.29Å; T30-T53 VanDerWaalsContact CA-OG1 3.25Å; T30-T53 WeakPolarHBondContact CA-OG1 3.43Å; T30-H54 WeakPolarHBondContact O-CB 3.46Å; T30-T74 HydrophobicContact CG2-CG2 3.33Å
31	T	95.8	Very high	96.9	Very high	96 Å²	96	42.6 Å²	42.6	59%	0.589	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-93.1	17	-176	63.5	0	0	0	0	114	T28 F29 R98	T28-T31 HydrophobicContact CG2-CG2 3.72Å; T28-T31 PolarHBondContact O-N 2.79Å; T28-T31 VanDerWaalsContact O-N 3.07Å; T28-T31 PolarHBondContact O-OG1 2.8Å; F29-T31 VanDerWaalsContact C-N 3.27Å; F29-T31 PolarHBondContact O-N 2.78Å; T31-R98 PolarHBondContact OG1-NH2 3.31Å
32	A	91.3	Very high	96.7	Very high	24 Å²	24	45.6 Å²	45.6	20%	0.198	29%	0.291	C	S	.	.	S	Bend	trans	-152	-179.5	-175.1	0	0	0	0	0	115	T30 T53 R98	T30-A32 VanDerWaalsContact C-N 3.34Å; T30-A32 PolarHBondContact O-N 2.98Å; A32-T53 PolarHBondContact N-OG1 2.94Å; A32-T53 WeakPolarHBondContact O-CB 3.4Å; A32-T53 WeakPolarHBondContact O-CG2 3.2Å; A32-T53 PolarHBondContact O-N 2.91Å; A32-T53 PolarHBondContact O-OG1 3.48Å; A32-R98 HydrophobicContact CB-CG 4.15Å
33	G	96.1	Very high	96.4	Very high	19 Å²	19	52 Å²	52	20%	0.196	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	147.5	162.1	0	0	0	0	0	111.4	I51	G33-I51 CarbonylContact C-O 3.56Å; G33-I51 VanDerWaalsContact CA-O 3.3Å; G33-I51 WeakPolarHBondContact CA-O 3.45Å
34	M	98.2	Very high	96.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.6	160.9	-176.6	61.1	64.3	0	0	108.7	L4 A24 F29 W50 I51 T53 A79 C96	L4-M34 HydrophobicContact CD1-SD 4.47Å; L4-M34 HydrophobicContact CD2-CE 3.87Å; A24-M34 HydrophobicContact CB-CE 4.24Å; F29-M34 HydrophobicContact CE2-CE 4.14Å; M34-W50 CarbonylContact O-C 3.48Å; M34-W50 WeakPolarHBondContact O-CA 3.47Å; M34-W50 WeakPolarHBondContact O-CB 3.39Å; M34-I51 HydrophobicContact CB-CG2 4.01Å; M34-I51 PolarHBondContact N-O 2.73Å; M34-I51 PolarHBondContact O-N 3.21Å; M34-T53 HydrophobicContact CB-CG2 4.11Å; M34-A79 HydrophobicContact CB-CB 4.03Å; M34-A79 HydrophobicContact CG-CB 3.61Å; M34-C96 HydrophobicContact CG-CB 4.46Å; M34-C96 HydrophobicContact SD-CB 3.76Å
35	Q	98.6	Very high	96	Very high	74 Å²	74	54.6 Å²	54.6	35%	0.346	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	151.9	177.6	-51.1	-153.4	0.2	0	0	111.3	W47 G49 W50 C96 A97	Q35-W47 VanDerWaalsContact OE1-NE1 3.16Å; Q35-G49 WeakPolarHBondContact CA-O 3.49Å; Q35-W50 HydrophobicContact CB-CB 4.41Å; Q35-W50 HydrophobicContact CG-CB 4.02Å; Q35-C96 CarbonylContact O-C 3.55Å; Q35-C96 VanDerWaalsContact O-CA 3.26Å; Q35-C96 WeakPolarHBondContact O-CA 3.37Å; Q35-A97 HydrophobicContact CB-CB 4.33Å; Q35-A97 PolarHBondContact N-O 2.88Å; Q35-A97 PolarHBondContact O-N 2.85Å
36	W	98.7	Very high	96	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.4	173.2	-69	99.9	0	0	0	110.6	I20 C22 I48 G49 F70 A79 L81 F95 C96	I20-W36 HydrophobicContact CG2-CH2 4.2Å; I20-W36 HydrophobicContact CG2-CZ3 4.01Å; C22-W36 HydrophobicContact CB-CH2 3.59Å; C22-W36 HydrophobicContact CB-CZ2 3.96Å; C22-W36 HydrophobicContact CB-CZ3 4.43Å; W36-I48 HydrophobicContact CB-CB 4.18Å; W36-I48 HydrophobicContact CB-CD1 4.1Å; W36-I48 WeakPolarHBondContact O-CB 3.37Å; W36-I48 PolarHBondContact O-N 2.81Å; W36-G49 PolarHBondContact N-O 2.77Å; W36-G49 PolarHBondContact O-N 2.97Å; W36-F70 HydrophobicContact CB-CE1 3.87Å; W36-F70 HydrophobicContact CB-CZ 4.18Å; W36-F70 AromaticContact CD1-CD1 3.42Å; W36-F70 VanDerWaalsContact CD1-CD1 3.42Å; W36-F70 AromaticContact CD1-CE1 3.39Å; W36-F70 AromaticContact CD1-CZ 3.97Å; W36-F70 HydrophobicContact CG-CD1 4.19Å; W36-F70 AromaticContact CG-CE1 3.8Å; W36-F70 HydrophobicContact CG-CE1 3.8Å; W36-F70 HydrophobicContact CG-CZ 4.42Å; W36-F70 AromaticContact NE1-CD1 3.87Å; W36-A79 HydrophobicContact CZ2-CB 4.25Å; W36-L81 HydrophobicContact CB-CD2 4.4Å; W36-L81 HydrophobicContact CD2-CB 3.69Å; W36-L81 HydrophobicContact CD2-CD2 4.09Å; W36-L81 HydrophobicContact CD2-CG 4.39Å; W36-L81 HydrophobicContact CE3-CB 3.77Å; W36-L81 HydrophobicContact CE3-CD2 3.8Å; W36-L81 HydrophobicContact CE3-CG 4.41Å; W36-L81 HydrophobicContact CG-CB 4.31Å; W36-L81 HydrophobicContact CG-CD2 4.36Å; W36-L81 HydrophobicContact CH2-CB 3.87Å; W36-L81 HydrophobicContact CZ2-CB 3.81Å; W36-L81 HydrophobicContact CZ3-CB 3.86Å; W36-L81 HydrophobicContact CZ3-CD2 4.37Å; W36-F95 CarbonylContact C-O 3.57Å; W36-F95 WeakPolarHBondContact CA-O 3.39Å; W36-C96 HydrophobicContact CD2-CB 4.27Å; W36-C96 HydrophobicContact CE3-CB 3.9Å; W36-C96 HydrophobicContact CH2-CB 3.9Å; W36-C96 HydrophobicContact CZ2-CB 4.22Å; W36-C96 HydrophobicContact CZ3-CB 3.72Å
37	V	98.5	Very high	96	Very high	25 Å²	25	58.2 Å²	58.2	15%	0.152	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.3	-176.3	-175.5	0	0	0	0	109.5	F45 K46 Y94 F95	V37-F45 HydrophobicContact CG1-CB 3.84Å; V37-F45 HydrophobicContact CG1-CD1 3.75Å; V37-F45 HydrophobicContact CG1-CG 4.27Å; V37-K46 CarbonylContact C-O 3.56Å; V37-K46 WeakPolarHBondContact CA-O 3.34Å; V37-K46 WeakPolarHBondContact CG1-O 3.3Å; V37-Y94 CarbonylContact O-C 3.48Å; V37-Y94 WeakPolarHBondContact O-CA 3.35Å; V37-F95 PolarHBondContact N-O 3.47Å; V37-F95 PolarHBondContact O-N 2.96Å
38	Q	98.1	Very high	96.2	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.037	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.8	173.4	-170.8	-174.8	48.8	0	0	109.8	M40 F45 K46 I48 F64 A92 Y94	Q38-M40 HydrophobicContact CG-CG 4.4Å; Q38-F45 CarbonylContact O-C 3.56Å; Q38-F45 WeakPolarHBondContact O-CA 3.33Å; Q38-K46 HydrophobicContact CB-CB 4.44Å; Q38-K46 PolarHBondContact N-O 3.14Å; Q38-K46 PolarHBondContact O-N 3.01Å; Q38-I48 HydrophobicContact CB-CD1 3.99Å; Q38-I48 HydrophobicContact CB-CG1 4.07Å; Q38-F64 HydrophobicContact CB-CZ 4.46Å; Q38-A92 HydrophobicContact CG-CB 3.37Å; Q38-Y94 HydrophobicContact CB-CD1 4.24Å; Q38-Y94 HydrophobicContact CB-CE1 3.99Å; Q38-Y94 HydrophobicContact CG-CD1 4.24Å; Q38-Y94 HydrophobicContact CG-CE1 3.68Å; Q38-Y94 PolarHBondContact NE2-OH 2.95Å
39	K	97.2	Very high	96.3	Very high	72 Å²	72	52 Å²	52	31%	0.313	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.1	168.9	-172.7	-172.4	-179.2	58.1	0	109.6	F45 A92 T93 F95	K39-F45 HydrophobicContact CB-CD1 3.77Å; K39-F45 HydrophobicContact CB-CE1 3.76Å; K39-F45 HydrophobicContact CD-CD1 4.35Å; K39-F45 HydrophobicContact CD-CE1 3.62Å; K39-F45 HydrophobicContact CD-CE2 4.31Å; K39-F45 HydrophobicContact CD-CZ 3.6Å; K39-F45 HydrophobicContact CG-CD1 4.04Å; K39-F45 HydrophobicContact CG-CE1 3.81Å; K39-F45 HydrophobicContact CG-CZ 4.1Å; K39-A92 WeakPolarHBondContact O-CA 3.48Å; K39-A92 WeakPolarHBondContact O-CB 3.48Å; K39-T93 PolarHBondContact N-O 3.07Å; K39-T93 PolarHBondContact O-N 3.37Å; K39-F95 HydrophobicContact CB-CD2 4.17Å; K39-F95 HydrophobicContact CB-CE2 3.75Å; K39-F95 HydrophobicContact CD-CE2 3.96Å
40	M	94.8	Very high	96.3	Very high	24 Å²	24	55.4 Å²	55.4	12%	0.118	32%	0.315	C	S	.	.			trans	-93.6	144.3	175.1	-74	173.8	-77.3	0	0	110.8	Q38 G42 K43 K46 A92	Q38-M40 HydrophobicContact CG-CG 4.4Å; M40-G42 PolarHBondContact O-N 2.81Å; M40-K43 HydrophobicContact CB-CB 3.92Å; M40-K43 HydrophobicContact CB-CD 4.09Å; M40-K43 HydrophobicContact CB-CG 4.35Å; M40-K43 HydrophobicContact CE-CD 3.85Å; M40-K43 PolarHBondContact O-N 3.47Å; M40-K43 VanDerWaalsContact O-N 3.11Å; M40-K43 HydrophobicContact SD-CD 3.87Å; M40-K46 HydrophobicContact CE-CD 4.01Å; M40-K46 HydrophobicContact CE-CG 4.36Å; M40-A92 HydrophobicContact CG-CB 3.95Å
41	P	93	Very high	96.4	Very high	107 Å²	107	53.6 Å²	53.6	70%	0.695	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	133.4	173.1	-25	34.3	0	0	0	112	K43	P41-K43 PolarHBondContact O-N 3.09Å; P41-K43 VanDerWaalsContact O-N 3.09Å
42	G	94.5	Very high	96.5	Very high	94 Å²	94	51.2 Å²	51.2	97%	0.969	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	2.6	-178.9	0	0	0	0	0	115.5	M40	M40-G42 PolarHBondContact O-N 2.81Å
43	K	92.2	Very high	96.8	Very high	135 Å²	135	50.1 Å²	50.1	59%	0.587	28%	0.277	S	S	*	.	S	Bend	trans	-122.1	169.1	178.7	-62.3	-176.7	-178.9	178.7	0	111.1	M40 P41	M40-K43 HydrophobicContact CB-CB 3.92Å; M40-K43 HydrophobicContact CB-CD 4.09Å; M40-K43 HydrophobicContact CB-CG 4.35Å; M40-K43 HydrophobicContact CE-CD 3.85Å; M40-K43 PolarHBondContact O-N 3.47Å; M40-K43 VanDerWaalsContact O-N 3.11Å; M40-K43 HydrophobicContact SD-CD 3.87Å; P41-K43 PolarHBondContact O-N 3.09Å; P41-K43 VanDerWaalsContact O-N 3.09Å
44	G	92.2	Very high	96.9	Very high	52 Å²	52	56.3 Å²	56.3	54%	0.536	30%	0.301	S	S	.	.			trans	-71	177.9	174.8	0	0	0	0	0	113.7
45	F	96.2	Very high	96.9	Very high	127 Å²	127	59 Å²	59	56%	0.557	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	136.6	169.1	-67.4	-93.5	0	0	0	109.7	V37 Q38 K39 F95	V37-F45 HydrophobicContact CG1-CB 3.84Å; V37-F45 HydrophobicContact CG1-CD1 3.75Å; V37-F45 HydrophobicContact CG1-CG 4.27Å; Q38-F45 CarbonylContact O-C 3.56Å; Q38-F45 WeakPolarHBondContact O-CA 3.33Å; K39-F45 HydrophobicContact CB-CD1 3.77Å; K39-F45 HydrophobicContact CB-CE1 3.76Å; K39-F45 HydrophobicContact CD-CD1 4.35Å; K39-F45 HydrophobicContact CD-CE1 3.62Å; K39-F45 HydrophobicContact CD-CE2 4.31Å; K39-F45 HydrophobicContact CD-CZ 3.6Å; K39-F45 HydrophobicContact CG-CD1 4.04Å; K39-F45 HydrophobicContact CG-CE1 3.81Å; K39-F45 HydrophobicContact CG-CZ 4.1Å; F45-F95 HydrophobicContact CE1-CD2 4.08Å; F45-F95 HydrophobicContact CE1-CE2 4.04Å
46	K	97.3	Very high	96.8	Very high	86 Å²	86	57 Å²	57	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.3	168.6	-75.9	-165.9	167.4	-160.3	0	109.3	V37 Q38 M40 I48 D63 F64	V37-K46 CarbonylContact C-O 3.56Å; V37-K46 WeakPolarHBondContact CA-O 3.34Å; V37-K46 WeakPolarHBondContact CG1-O 3.3Å; Q38-K46 HydrophobicContact CB-CB 4.44Å; Q38-K46 PolarHBondContact N-O 3.14Å; Q38-K46 PolarHBondContact O-N 3.01Å; M40-K46 HydrophobicContact CE-CD 4.01Å; M40-K46 HydrophobicContact CE-CG 4.36Å; K46-I48 PolarHBondContact O-N 3.21Å; K46-D63 IonicContact NZ-OD2 3.58Å; K46-D63 PolarHBondContact NZ-OD2 3.47Å; K46-F64 HydrophobicContact CB-CE2 4.28Å; K46-F64 HydrophobicContact CB-CZ 3.96Å; K46-F64 HydrophobicContact CD-CE2 4.49Å; K46-F64 HydrophobicContact CD-CZ 4.09Å
47	W	97.9	Very high	96.7	Very high	98 Å²	98	63.3 Å²	63.3	37%	0.371	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.8	171.6	-177.5	81	0	0	0	109.7	Q35 W50 A61 F64	Q35-W47 VanDerWaalsContact OE1-NE1 3.16Å; W47-W50 AromaticContact CH2-CD1 3.9Å; W47-W50 HydrophobicContact CZ2-CB 4.43Å; W47-W50 AromaticContact CZ2-CD1 3.52Å; W47-W50 HydrophobicContact CZ2-CG 4.32Å; W47-A61 HydrophobicContact CE3-CB 3.86Å; W47-A61 HydrophobicContact CZ3-CB 4.04Å; W47-F64 WeakPolarHBondContact O-CE2 3.38Å
48	I	98.4	Very high	96.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-43.7	-179.5	-58.6	167.2	0	0	0	109.4	W36 Q38 K46 Y60 A61 F64 F68 F70 L81 Y94	W36-I48 HydrophobicContact CB-CB 4.18Å; W36-I48 HydrophobicContact CB-CD1 4.1Å; W36-I48 WeakPolarHBondContact O-CB 3.37Å; W36-I48 PolarHBondContact O-N 2.81Å; Q38-I48 HydrophobicContact CB-CD1 3.99Å; Q38-I48 HydrophobicContact CB-CG1 4.07Å; K46-I48 PolarHBondContact O-N 3.21Å; I48-Y60 WeakPolarHBondContact O-CA 3.05Å; I48-A61 PolarHBondContact O-N 3.28Å; I48-F64 HydrophobicContact CB-CD1 4.38Å; I48-F64 HydrophobicContact CB-CD2 4.27Å; I48-F64 HydrophobicContact CB-CE2 4.48Å; I48-F64 HydrophobicContact CB-CG 4.21Å; I48-F64 HydrophobicContact CG1-CD1 4.02Å; I48-F64 HydrophobicContact CG1-CD2 4.4Å; I48-F64 HydrophobicContact CG1-CE1 3.83Å; I48-F64 HydrophobicContact CG1-CE2 4.21Å; I48-F64 HydrophobicContact CG1-CG 4.31Å; I48-F64 HydrophobicContact CG1-CZ 3.92Å; I48-F64 HydrophobicContact CG2-CB 3.8Å; I48-F64 HydrophobicContact CG2-CD1 3.9Å; I48-F64 HydrophobicContact CG2-CD2 4.21Å; I48-F64 HydrophobicContact CG2-CG 3.71Å; I48-F68 HydrophobicContact CD1-CD1 4.48Å; I48-F68 HydrophobicContact CD1-CE1 4.37Å; I48-F68 HydrophobicContact CG2-CB 4.35Å; I48-F68 HydrophobicContact CG2-CD1 3.87Å; I48-F68 HydrophobicContact CG2-CG 4.27Å; I48-F70 HydrophobicContact CB-CZ 4.42Å; I48-F70 HydrophobicContact CG2-CE1 3.96Å; I48-F70 HydrophobicContact CG2-CZ 3.78Å; I48-L81 HydrophobicContact CD1-CD2 3.98Å; I48-Y94 HydrophobicContact CD1-CD1 3.64Å; I48-Y94 HydrophobicContact CD1-CE1 3.87Å
49	G	98.6	Very high	96.7	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-168.4	-172.5	0	0	0	0	0	112.5	Q35 W36 K59	Q35-G49 WeakPolarHBondContact CA-O 3.49Å; W36-G49 PolarHBondContact N-O 2.77Å; W36-G49 PolarHBondContact O-N 2.97Å; G49-K59 CarbonylContact C-O 3.59Å; G49-K59 WeakPolarHBondContact CA-O 3.43Å
50	W	98.4	Very high	96.8	Very high	80 Å²	80	69.5 Å²	69.5	30%	0.303	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	163.1	173	70	-69.2	0	0	0	111.5	M34 Q35 W47 N52 P58 K59 F70	M34-W50 CarbonylContact O-C 3.48Å; M34-W50 WeakPolarHBondContact O-CA 3.47Å; M34-W50 WeakPolarHBondContact O-CB 3.39Å; Q35-W50 HydrophobicContact CB-CB 4.41Å; Q35-W50 HydrophobicContact CG-CB 4.02Å; W47-W50 AromaticContact CH2-CD1 3.9Å; W47-W50 HydrophobicContact CZ2-CB 4.43Å; W47-W50 AromaticContact CZ2-CD1 3.52Å; W47-W50 HydrophobicContact CZ2-CG 4.32Å; W50-N52 HydrophobicContact CE3-CB 4.42Å; W50-N52 HydrophobicContact CH2-CB 4.07Å; W50-N52 VanDerWaalsContact CZ3-CA 3.5Å; W50-N52 HydrophobicContact CZ3-CB 3.58Å; W50-P58 CarbonylContact O-C 3.59Å; W50-P58 WeakPolarHBondContact O-CA 3.47Å; W50-K59 PolarHBondContact N-O 2.83Å; W50-K59 PolarHBondContact O-N 2.75Å; W50-F70 VanDerWaalsContact N-CE2 3.33Å; W50-F70 WeakPolarHBondContact O-CD2 3.43Å; W50-F70 WeakPolarHBondContact O-CE2 3.33Å
51	I	98.6	Very high	96.9	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.9	171	-173.9	162.6	0	0	0	109.9	G33 M34 T53 G56 P58 F70 L72	G33-I51 CarbonylContact C-O 3.56Å; G33-I51 VanDerWaalsContact CA-O 3.3Å; G33-I51 WeakPolarHBondContact CA-O 3.45Å; M34-I51 HydrophobicContact CB-CG2 4.01Å; M34-I51 PolarHBondContact N-O 2.73Å; M34-I51 PolarHBondContact O-N 3.21Å; I51-T53 PolarHBondContact O-N 2.85Å; I51-G56 VanDerWaalsContact CD1-O 3.25Å; I51-G56 WeakPolarHBondContact CD1-O 3.44Å; I51-G56 WeakPolarHBondContact CG1-O 3.48Å; I51-P58 HydrophobicContact CB-CB 4.43Å; I51-P58 HydrophobicContact CD1-CB 4.46Å; I51-P58 HydrophobicContact CG1-CB 4.38Å; I51-F70 HydrophobicContact CB-CB 3.8Å; I51-F70 HydrophobicContact CB-CD2 4.04Å; I51-F70 HydrophobicContact CB-CG 4.29Å; I51-F70 HydrophobicContact CD1-CB 3.74Å; I51-F70 HydrophobicContact CG1-CB 4.34Å; I51-F70 HydrophobicContact CG2-CB 4.07Å; I51-L72 HydrophobicContact CD1-CD1 3.94Å; I51-L72 HydrophobicContact CD1-CD2 4.41Å; I51-L72 HydrophobicContact CD1-CG 3.78Å; I51-L72 HydrophobicContact CG1-CD1 3.98Å; I51-L72 HydrophobicContact CG1-CG 4.24Å; I51-L72 HydrophobicContact CG2-CD1 4.4Å; I51-L72 HydrophobicContact CG2-CD2 3.68Å; I51-L72 HydrophobicContact CG2-CG 4.21Å
52	N	98.2	Very high	97.1	Very high	46 Å²	46	71 Å²	71	25%	0.246	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	119.3	171.9	-173.9	-39.7	0	0	0	108.8	W50 H54 S55 G56 E57	W50-N52 HydrophobicContact CE3-CB 4.42Å; W50-N52 HydrophobicContact CH2-CB 4.07Å; W50-N52 VanDerWaalsContact CZ3-CA 3.5Å; W50-N52 HydrophobicContact CZ3-CB 3.58Å; N52-H54 PolarHBondContact O-N 2.76Å; N52-H54 WeakPolarHBondContact OD1-CA 3.44Å; N52-H54 VanDerWaalsContact OD1-CB 3.3Å; N52-H54 WeakPolarHBondContact OD1-CB 3.43Å; N52-H54 PolarHBondContact OD1-N 2.91Å; N52-S55 WeakPolarHBondContact CB-OG 3.4Å; N52-S55 VanDerWaalsContact CG-OG 3.29Å; N52-S55 PolarHBondContact OD1-N 2.89Å; N52-G56 WeakPolarHBondContact O-CA 3.43Å; N52-G56 PolarHBondContact O-N 3.05Å; N52-E57 PolarHBondContact N-O 2.62Å
53	T	98	Very high	97	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.006	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-11.9	-176.1	60.6	0	0	0	0	113.9	F29 T30 A32 M34 I51 L72	F29-T53 HydrophobicContact CD2-CG2 4.41Å; F29-T53 HydrophobicContact CE1-CG2 4.1Å; F29-T53 HydrophobicContact CE2-CG2 3.92Å; F29-T53 HydrophobicContact CZ-CG2 3.76Å; F29-T53 WeakPolarHBondContact O-CB 3.39Å; F29-T53 PolarHBondContact O-OG1 2.96Å; T30-T53 VanDerWaalsContact C-OG1 3.29Å; T30-T53 VanDerWaalsContact CA-OG1 3.25Å; T30-T53 WeakPolarHBondContact CA-OG1 3.43Å; A32-T53 PolarHBondContact N-OG1 2.94Å; A32-T53 WeakPolarHBondContact O-CB 3.4Å; A32-T53 WeakPolarHBondContact O-CG2 3.2Å; A32-T53 PolarHBondContact O-N 2.91Å; A32-T53 PolarHBondContact O-OG1 3.48Å; M34-T53 HydrophobicContact CB-CG2 4.11Å; I51-T53 PolarHBondContact O-N 2.85Å; T53-L72 HydrophobicContact CG2-CD1 4.49Å; T53-L72 HydrophobicContact CG2-CD2 4.46Å
54	H	97.3	Very high	97.2	Very high	150 Å²	150	65.9 Å²	65.9	69%	0.694	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-57.2	171.8	-169.6	58.2	0	0	0	111.6	T30 N52	T30-H54 WeakPolarHBondContact O-CB 3.46Å; N52-H54 PolarHBondContact O-N 2.76Å; N52-H54 WeakPolarHBondContact OD1-CA 3.44Å; N52-H54 VanDerWaalsContact OD1-CB 3.3Å; N52-H54 WeakPolarHBondContact OD1-CB 3.43Å; N52-H54 PolarHBondContact OD1-N 2.91Å
55	S	97.4	Very high	97.2	Very high	55 Å²	55	68.3 Å²	68.3	39%	0.385	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-18.2	-174.6	64.3	0	0	0	0	113.8	N52 E57	N52-S55 WeakPolarHBondContact CB-OG 3.4Å; N52-S55 VanDerWaalsContact CG-OG 3.29Å; N52-S55 PolarHBondContact OD1-N 2.89Å; S55-E57 PolarHBondContact O-N 3.22Å; S55-E57 WeakPolarHBondContact OG-CB 3.38Å; S55-E57 WeakPolarHBondContact OG-CG 3Å; S55-E57 PolarHBondContact OG-N 2.91Å; S55-E57 PolarHBondContact OG-OE2 2.86Å
56	G	97.3	Very high	97.2	Very high	33 Å²	33	66.4 Å²	66.4	34%	0.34	35%	0.349	S	S	.	.			trans	74.6	5.2	-172.5	0	0	0	0	0	113.9	I51 N52 P58	I51-G56 VanDerWaalsContact CD1-O 3.25Å; I51-G56 WeakPolarHBondContact CD1-O 3.44Å; I51-G56 WeakPolarHBondContact CG1-O 3.48Å; N52-G56 WeakPolarHBondContact O-CA 3.43Å; N52-G56 PolarHBondContact O-N 3.05Å; G56-P58 WeakPolarHBondContact O-CD 3.2Å
57	E	97.5	Very high	97.1	Very high	132 Å²	132	64.5 Å²	64.5	62%	0.617	34%	0.339	S	S	*	.			trans	-77.7	122.9	-176.9	-67.8	169.3	145.5	0	0	111.3	N52 S55	N52-E57 PolarHBondContact N-O 2.62Å; S55-E57 PolarHBondContact O-N 3.22Å; S55-E57 WeakPolarHBondContact OG-CB 3.38Å; S55-E57 WeakPolarHBondContact OG-CG 3Å; S55-E57 PolarHBondContact OG-N 2.91Å; S55-E57 PolarHBondContact OG-OE2 2.86Å
58	P	98.2	Very high	97.1	Very high	58 Å²	58	60.2 Å²	60.2	38%	0.377	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	152	178.7	36.6	-34.1	0	0	0	112.6	W50 I51 G56 Y60 F70	W50-P58 CarbonylContact O-C 3.59Å; W50-P58 WeakPolarHBondContact O-CA 3.47Å; I51-P58 HydrophobicContact CB-CB 4.43Å; I51-P58 HydrophobicContact CD1-CB 4.46Å; I51-P58 HydrophobicContact CG1-CB 4.38Å; G56-P58 WeakPolarHBondContact O-CD 3.2Å; P58-Y60 HydrophobicContact CB-CE1 4.44Å; P58-Y60 HydrophobicContact CB-CE2 3.68Å; P58-Y60 WeakPolarHBondContact CB-OH 2.98Å; P58-Y60 HydrophobicContact CG-CE2 3.71Å; P58-Y60 WeakPolarHBondContact CG-OH 3.26Å; P58-F70 HydrophobicContact CB-CB 4.25Å; P58-F70 HydrophobicContact CB-CD2 3.69Å; P58-F70 HydrophobicContact CB-CG 4.42Å
59	K	98.1	Very high	97.1	Very high	131 Å²	131	62 Å²	62	57%	0.57	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.1	165.6	-175.3	177.9	-176.8	176.5	0	109.5	G49 W50	G49-K59 CarbonylContact C-O 3.59Å; G49-K59 WeakPolarHBondContact CA-O 3.43Å; W50-K59 PolarHBondContact N-O 2.83Å; W50-K59 PolarHBondContact O-N 2.75Å
60	Y	98.5	Very high	97.1	Very high	47 Å²	47	62.8 Å²	62.8	18%	0.184	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.7	-177.8	-53.8	-84.2	0	0	0	110.9	I48 P58 F68 A69 F70	I48-Y60 WeakPolarHBondContact O-CA 3.05Å; P58-Y60 HydrophobicContact CB-CE1 4.44Å; P58-Y60 HydrophobicContact CB-CE2 3.68Å; P58-Y60 WeakPolarHBondContact CB-OH 2.98Å; P58-Y60 HydrophobicContact CG-CE2 3.71Å; P58-Y60 WeakPolarHBondContact CG-OH 3.26Å; Y60-F68 WeakPolarHBondContact CE1-O 3.37Å; Y60-A69 WeakPolarHBondContact OH-CA 3.36Å; Y60-F70 HydrophobicContact CD1-CD2 4.13Å; Y60-F70 HydrophobicContact CD1-CE1 4.31Å; Y60-F70 AromaticContact CD1-CE2 3.53Å; Y60-F70 HydrophobicContact CD1-CE2 3.53Å; Y60-F70 AromaticContact CD1-CZ 3.65Å; Y60-F70 HydrophobicContact CD1-CZ 3.65Å; Y60-F70 HydrophobicContact CE1-CD1 4.03Å; Y60-F70 AromaticContact CE1-CD2 3.49Å; Y60-F70 HydrophobicContact CE1-CD2 3.49Å; Y60-F70 VanDerWaalsContact CE1-CD2 3.49Å; Y60-F70 AromaticContact CE1-CE1 3.94Å; Y60-F70 HydrophobicContact CE1-CE1 3.94Å; Y60-F70 AromaticContact CE1-CE2 3.37Å; Y60-F70 HydrophobicContact CE1-CE2 3.37Å; Y60-F70 AromaticContact CE1-CG 3.81Å; Y60-F70 HydrophobicContact CE1-CG 3.81Å; Y60-F70 AromaticContact CE1-CZ 3.62Å; Y60-F70 HydrophobicContact CE1-CZ 3.62Å; Y60-F70 HydrophobicContact CG-CE2 4.43Å; Y60-F70 AromaticContact CZ-CD2 3.93Å; Y60-F70 PolarHBondContact OH-N 3.42Å
61	A	97.9	Very high	97.1	Very high	27 Å²	27	61 Å²	61	22%	0.223	34%	0.342	C	S	.	.			trans	-70.9	152	159.6	0	0	0	0	0	109.7	W47 I48 D63 F64 K65	W47-A61 HydrophobicContact CE3-CB 3.86Å; W47-A61 HydrophobicContact CZ3-CB 4.04Å; I48-A61 PolarHBondContact O-N 3.28Å; A61-D63 VanDerWaalsContact C-N 3.33Å; A61-D63 PolarHBondContact O-N 3.02Å; A61-F64 HydrophobicContact CB-CD2 4.06Å; A61-F64 PolarHBondContact O-N 2.84Å; A61-F64 VanDerWaalsContact O-N 3.09Å; A61-K65 PolarHBondContact O-N 2.8Å
62	E	96	Very high	97.1	Very high	136 Å²	136	62.8 Å²	62.8	64%	0.636	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-55.2	-45	-172.2	-63.2	-56.7	142.5	0	0	113	F64 K65	E62-F64 PolarHBondContact O-N 3.07Å; E62-K65 PolarHBondContact O-N 2.02Å; E62-K65 WeakPolarHBondContact OE1-CE 3.37Å; E62-K65 IonicContact OE1-NZ 2.62Å; E62-K65 PolarHBondContact OE1-NZ 2.86Å; E62-K65 WeakPolarHBondContact OE2-CD 3.11Å; E62-K65 WeakPolarHBondContact OE2-CE 3.46Å; E62-K65 IonicContact OE2-NZ 2.75Å; E62-K65 PolarHBondContact OE2-NZ 2.77Å
63	D	92.5	Very high	97.1	Very high	112 Å²	112	64.8 Å²	64.8	60%	0.599	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-55.1	-24.4	179.9	-73.4	7.1	0	0	0	114.2	K46 A61	K46-D63 IonicContact NZ-OD2 3.58Å; K46-D63 PolarHBondContact NZ-OD2 3.47Å; A61-D63 VanDerWaalsContact C-N 3.33Å; A61-D63 PolarHBondContact O-N 3.02Å
64	F	95.9	Very high	97	Very high	9 Å²	9	68.1 Å²	68.1	4%	0.039	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-107.3	-7.7	-171.9	-60.2	-83.2	0	0	0	113.5	Q38 K46 W47 I48 A61 E62 F68	Q38-F64 HydrophobicContact CB-CZ 4.46Å; K46-F64 HydrophobicContact CB-CE2 4.28Å; K46-F64 HydrophobicContact CB-CZ 3.96Å; K46-F64 HydrophobicContact CD-CE2 4.49Å; K46-F64 HydrophobicContact CD-CZ 4.09Å; W47-F64 WeakPolarHBondContact O-CE2 3.38Å; I48-F64 HydrophobicContact CB-CD1 4.38Å; I48-F64 HydrophobicContact CB-CD2 4.27Å; I48-F64 HydrophobicContact CB-CE2 4.48Å; I48-F64 HydrophobicContact CB-CG 4.21Å; I48-F64 HydrophobicContact CG1-CD1 4.02Å; I48-F64 HydrophobicContact CG1-CD2 4.4Å; I48-F64 HydrophobicContact CG1-CE1 3.83Å; I48-F64 HydrophobicContact CG1-CE2 4.21Å; I48-F64 HydrophobicContact CG1-CG 4.31Å; I48-F64 HydrophobicContact CG1-CZ 3.92Å; I48-F64 HydrophobicContact CG2-CB 3.8Å; I48-F64 HydrophobicContact CG2-CD1 3.9Å; I48-F64 HydrophobicContact CG2-CD2 4.21Å; I48-F64 HydrophobicContact CG2-CG 3.71Å; A61-F64 HydrophobicContact CB-CD2 4.06Å; A61-F64 PolarHBondContact O-N 2.84Å; A61-F64 VanDerWaalsContact O-N 3.09Å; E62-F64 PolarHBondContact O-N 3.07Å; F64-F68 HydrophobicContact CB-CB 4.21Å; F64-F68 HydrophobicContact CB-CD2 3.88Å; F64-F68 HydrophobicContact CB-CE2 4.5Å; F64-F68 HydrophobicContact CB-CG 3.98Å; F64-F68 HydrophobicContact CD1-CD1 4.02Å; F64-F68 AromaticContact CD1-CD2 3.79Å; F64-F68 HydrophobicContact CD1-CD2 3.79Å; F64-F68 AromaticContact CD1-CE1 3.81Å; F64-F68 HydrophobicContact CD1-CE1 3.81Å; F64-F68 AromaticContact CD1-CE2 3.6Å; F64-F68 HydrophobicContact CD1-CE2 3.6Å; F64-F68 HydrophobicContact CD1-CG 4.04Å; F64-F68 AromaticContact CD1-CZ 3.62Å; F64-F68 HydrophobicContact CD1-CZ 3.62Å; F64-F68 HydrophobicContact CE1-CE1 4.28Å; F64-F68 HydrophobicContact CE1-CE2 4.39Å; F64-F68 HydrophobicContact CE1-CZ 4.06Å; F64-F68 HydrophobicContact CG-CD2 4.34Å; F64-F68 HydrophobicContact CG-CG 4.49Å; F64-F68 WeakPolarHBondContact O-CB 3.45Å; F64-F68 WeakPolarHBondContact O-CD2 3.39Å; F64-F68 PolarHBondContact O-N 2.83Å
65	K	94.2	Very high	96.9	Very high	103 Å²	103	66.4 Å²	66.4	45%	0.448	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	146.1	178.7	-74	-177.6	-176	169.8	0	111.4	A61 E62 R67	A61-K65 PolarHBondContact O-N 2.8Å; E62-K65 PolarHBondContact O-N 2.02Å; E62-K65 WeakPolarHBondContact OE1-CE 3.37Å; E62-K65 IonicContact OE1-NZ 2.62Å; E62-K65 PolarHBondContact OE1-NZ 2.86Å; E62-K65 WeakPolarHBondContact OE2-CD 3.11Å; E62-K65 WeakPolarHBondContact OE2-CE 3.46Å; E62-K65 IonicContact OE2-NZ 2.75Å; E62-K65 PolarHBondContact OE2-NZ 2.77Å; K65-R67 VanDerWaalsContact C-N 3.26Å; K65-R67 PolarHBondContact O-N 2.87Å; K65-R67 VanDerWaalsContact O-N 3.14Å
66	G	94.5	Very high	96.9	Very high	87 Å²	87	65.1 Å²	65.1	90%	0.897	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-29.7	174	0	0	0	0	0	115.9
67	R	95.4	Very high	97	Very high	46 Å²	46	65.3 Å²	65.3	17%	0.174	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-30.9	176.1	-60.9	-167.2	-55.9	111	-6.5	114.1	K65 S84 D90	K65-R67 VanDerWaalsContact C-N 3.26Å; K65-R67 PolarHBondContact O-N 2.87Å; K65-R67 VanDerWaalsContact O-N 3.14Å; R67-S84 PolarHBondContact O-N 2.92Å; R67-D90 IonicContact CZ-OD1 3.21Å; R67-D90 IonicContact CZ-OD2 2.72Å; R67-D90 VanDerWaalsContact NH1-CG 3.34Å; R67-D90 IonicContact NH1-OD1 2.98Å; R67-D90 PolarHBondContact NH1-OD1 3.41Å; R67-D90 IonicContact NH1-OD2 3.61Å; R67-D90 PolarHBondContact NH1-OD2 2.73Å; R67-D90 IonicContact NH2-OD1 3.46Å; R67-D90 PolarHBondContact NH2-OD1 3.3Å; R67-D90 IonicContact NH2-OD2 2.78Å
68	F	98.3	Very high	97	Very high	7 Å²	7	59.5 Å²	59.5	3%	0.031	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.4	-179.3	-67.4	-113.2	0	0	0	109.4	I48 Y60 F64 L81 Q82 I83 Y94	I48-F68 HydrophobicContact CD1-CD1 4.48Å; I48-F68 HydrophobicContact CD1-CE1 4.37Å; I48-F68 HydrophobicContact CG2-CB 4.35Å; I48-F68 HydrophobicContact CG2-CD1 3.87Å; I48-F68 HydrophobicContact CG2-CG 4.27Å; Y60-F68 WeakPolarHBondContact CE1-O 3.37Å; F64-F68 HydrophobicContact CB-CB 4.21Å; F64-F68 HydrophobicContact CB-CD2 3.88Å; F64-F68 HydrophobicContact CB-CE2 4.5Å; F64-F68 HydrophobicContact CB-CG 3.98Å; F64-F68 HydrophobicContact CD1-CD1 4.02Å; F64-F68 AromaticContact CD1-CD2 3.79Å; F64-F68 HydrophobicContact CD1-CD2 3.79Å; F64-F68 AromaticContact CD1-CE1 3.81Å; F64-F68 HydrophobicContact CD1-CE1 3.81Å; F64-F68 AromaticContact CD1-CE2 3.6Å; F64-F68 HydrophobicContact CD1-CE2 3.6Å; F64-F68 HydrophobicContact CD1-CG 4.04Å; F64-F68 AromaticContact CD1-CZ 3.62Å; F64-F68 HydrophobicContact CD1-CZ 3.62Å; F64-F68 HydrophobicContact CE1-CE1 4.28Å; F64-F68 HydrophobicContact CE1-CE2 4.39Å; F64-F68 HydrophobicContact CE1-CZ 4.06Å; F64-F68 HydrophobicContact CG-CD2 4.34Å; F64-F68 HydrophobicContact CG-CG 4.49Å; F64-F68 WeakPolarHBondContact O-CB 3.45Å; F64-F68 WeakPolarHBondContact O-CD2 3.39Å; F64-F68 PolarHBondContact O-N 2.83Å; F68-L81 HydrophobicContact CB-CD1 4.45Å; F68-L81 HydrophobicContact CD1-CD1 3.91Å; F68-Q82 CarbonylContact C-O 3.57Å; F68-Q82 WeakPolarHBondContact CA-O 3.17Å; F68-I83 HydrophobicContact CD1-CB 4.48Å; F68-I83 HydrophobicContact CD1-CD1 4.07Å; F68-I83 HydrophobicContact CD1-CG1 3.68Å; F68-I83 HydrophobicContact CD1-CG2 4.29Å; F68-I83 HydrophobicContact CD2-CG2 4.25Å; F68-I83 HydrophobicContact CE1-CB 4.29Å; F68-I83 HydrophobicContact CE1-CD1 3.4Å; F68-I83 HydrophobicContact CE1-CG1 3.51Å; F68-I83 HydrophobicContact CE1-CG2 3.88Å; F68-I83 HydrophobicContact CE2-CG2 3.81Å; F68-I83 HydrophobicContact CG-CG1 4.45Å; F68-I83 HydrophobicContact CG-CG2 4.46Å; F68-I83 HydrophobicContact CZ-CB 4.49Å; F68-I83 HydrophobicContact CZ-CD1 3.98Å; F68-I83 HydrophobicContact CZ-CG1 4.14Å; F68-I83 HydrophobicContact CZ-CG2 3.59Å; F68-Y94 AromaticContact CE1-CE1 3.8Å; F68-Y94 HydrophobicContact CE1-CE1 3.8Å; F68-Y94 HydrophobicContact CZ-CE1 4.47Å
69	A	98.5	Very high	97	Very high	39 Å²	39	56.7 Å²	56.7	32%	0.322	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.5	177.3	0	0	0	0	0	110.4	Y60 Q82	Y60-A69 WeakPolarHBondContact OH-CA 3.36Å; A69-Q82 HydrophobicContact CB-CB 4.43Å; A69-Q82 PolarHBondContact N-O 3.31Å; A69-Q82 PolarHBondContact O-N 2.95Å
70	F	98.6	Very high	97.1	Very high	15 Å²	15	52.5 Å²	52.5	7%	0.066	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	141.6	170.9	-51.1	-36.1	0	0	0	110.1	W36 I48 W50 I51 P58 Y60 Y80 L81	W36-F70 HydrophobicContact CB-CE1 3.87Å; W36-F70 HydrophobicContact CB-CZ 4.18Å; W36-F70 AromaticContact CD1-CD1 3.42Å; W36-F70 VanDerWaalsContact CD1-CD1 3.42Å; W36-F70 AromaticContact CD1-CE1 3.39Å; W36-F70 AromaticContact CD1-CZ 3.97Å; W36-F70 HydrophobicContact CG-CD1 4.19Å; W36-F70 AromaticContact CG-CE1 3.8Å; W36-F70 HydrophobicContact CG-CE1 3.8Å; W36-F70 HydrophobicContact CG-CZ 4.42Å; W36-F70 AromaticContact NE1-CD1 3.87Å; I48-F70 HydrophobicContact CB-CZ 4.42Å; I48-F70 HydrophobicContact CG2-CE1 3.96Å; I48-F70 HydrophobicContact CG2-CZ 3.78Å; W50-F70 VanDerWaalsContact N-CE2 3.33Å; W50-F70 WeakPolarHBondContact O-CD2 3.43Å; W50-F70 WeakPolarHBondContact O-CE2 3.33Å; I51-F70 HydrophobicContact CB-CB 3.8Å; I51-F70 HydrophobicContact CB-CD2 4.04Å; I51-F70 HydrophobicContact CB-CG 4.29Å; I51-F70 HydrophobicContact CD1-CB 3.74Å; I51-F70 HydrophobicContact CG1-CB 4.34Å; I51-F70 HydrophobicContact CG2-CB 4.07Å; P58-F70 HydrophobicContact CB-CB 4.25Å; P58-F70 HydrophobicContact CB-CD2 3.69Å; P58-F70 HydrophobicContact CB-CG 4.42Å; Y60-F70 HydrophobicContact CD1-CD2 4.13Å; Y60-F70 HydrophobicContact CD1-CE1 4.31Å; Y60-F70 AromaticContact CD1-CE2 3.53Å; Y60-F70 HydrophobicContact CD1-CE2 3.53Å; Y60-F70 AromaticContact CD1-CZ 3.65Å; Y60-F70 HydrophobicContact CD1-CZ 3.65Å; Y60-F70 HydrophobicContact CE1-CD1 4.03Å; Y60-F70 AromaticContact CE1-CD2 3.49Å; Y60-F70 HydrophobicContact CE1-CD2 3.49Å; Y60-F70 VanDerWaalsContact CE1-CD2 3.49Å; Y60-F70 AromaticContact CE1-CE1 3.94Å; Y60-F70 HydrophobicContact CE1-CE1 3.94Å; Y60-F70 AromaticContact CE1-CE2 3.37Å; Y60-F70 HydrophobicContact CE1-CE2 3.37Å; Y60-F70 AromaticContact CE1-CG 3.81Å; Y60-F70 HydrophobicContact CE1-CG 3.81Å; Y60-F70 AromaticContact CE1-CZ 3.62Å; Y60-F70 HydrophobicContact CE1-CZ 3.62Å; Y60-F70 HydrophobicContact CG-CE2 4.43Å; Y60-F70 AromaticContact CZ-CD2 3.93Å; Y60-F70 PolarHBondContact OH-N 3.42Å; F70-Y80 WeakPolarHBondContact CA-O 3.44Å; F70-L81 HydrophobicContact CD1-CD1 3.67Å; F70-L81 HydrophobicContact CE1-CD1 3.49Å; F70-L81 VanDerWaalsContact CE1-CD1 3.49Å
71	S	98.3	Very high	97.1	Very high	44 Å²	44	50.3 Å²	50.3	31%	0.308	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	167	170.9	56.2	0	0	0	0	110.2	A79 Y80	S71-A79 CarbonylContact O-C 3.59Å; S71-Y80 PolarHBondContact N-O 2.8Å; S71-Y80 PolarHBondContact O-N 2.88Å
72	L	98	Very high	97.1	Very high	40 Å²	40	52.1 Å²	52.1	21%	0.209	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.2	-174.3	-58.1	171.6	0	0	0	110.8	F29 I51 T53 T78 A79	F29-L72 HydrophobicContact CE1-CD2 4.27Å; F29-L72 HydrophobicContact CZ-CD2 3.89Å; I51-L72 HydrophobicContact CD1-CD1 3.94Å; I51-L72 HydrophobicContact CD1-CD2 4.41Å; I51-L72 HydrophobicContact CD1-CG 3.78Å; I51-L72 HydrophobicContact CG1-CD1 3.98Å; I51-L72 HydrophobicContact CG1-CG 4.24Å; I51-L72 HydrophobicContact CG2-CD1 4.4Å; I51-L72 HydrophobicContact CG2-CD2 3.68Å; I51-L72 HydrophobicContact CG2-CG 4.21Å; T53-L72 HydrophobicContact CG2-CD1 4.49Å; T53-L72 HydrophobicContact CG2-CD2 4.46Å; L72-T78 CarbonylContact C-O 3.59Å; L72-T78 WeakPolarHBondContact CA-O 3.5Å; L72-A79 HydrophobicContact CD2-CB 3.4Å; L72-A79 VanDerWaalsContact CD2-CB 3.4Å
73	E	97.9	Very high	97.2	Very high	88 Å²	88	45.6 Å²	45.6	41%	0.411	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	91.9	163.5	-175.8	176.5	-172.1	0	0	107.9	S75 A76 S77 T78 Y80	E73-S75 PolarHBondContact O-N 2.77Å; E73-A76 HydrophobicContact CB-CB 4.28Å; E73-A76 HydrophobicContact CG-CB 3.75Å; E73-A76 CarbonylContact O-C 3.54Å; E73-A76 PolarHBondContact O-N 2.92Å; E73-A76 VanDerWaalsContact O-N 3.13Å; E73-S77 PolarHBondContact O-N 3.01Å; E73-S77 VanDerWaalsContact O-N 3.1Å; E73-T78 PolarHBondContact N-O 3Å; E73-T78 PolarHBondContact O-N 2.92Å; E73-T78 VanDerWaalsContact O-N 3.13Å; E73-Y80 HydrophobicContact CB-CE2 3.87Å; E73-Y80 PolarHBondContact OE2-OH 2.77Å
74	T	96.4	Very high	97.5	Very high	71 Å²	71	42.1 Å²	42.1	44%	0.436	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-63.1	-39.6	-169.1	-55.1	0	0	0	0	112.8	F29 T30 A76 S77	F29-T74 HydrophobicContact CD1-CG2 4.42Å; T30-T74 HydrophobicContact CG2-CG2 3.33Å; T74-A76 PolarHBondContact O-N 2.89Å; T74-S77 PolarHBondContact O-N 2.81Å
75	S	96.1	Very high	97.5	Very high	114 Å²	114	46.3 Å²	46.3	80%	0.797	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-60.3	-32.7	176	50.9	0	0	0	0	112.7	E73	E73-S75 PolarHBondContact O-N 2.77Å
76	A	97.7	Very high	97.7	Very high	29 Å²	29	42.4 Å²	42.4	24%	0.24	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-92.8	0.5	177.5	0	0	0	0	0	113.4	E73 T74 T78	E73-A76 HydrophobicContact CB-CB 4.28Å; E73-A76 HydrophobicContact CG-CB 3.75Å; E73-A76 CarbonylContact O-C 3.54Å; E73-A76 PolarHBondContact O-N 2.92Å; E73-A76 VanDerWaalsContact O-N 3.13Å; T74-A76 PolarHBondContact O-N 2.89Å; A76-T78 PolarHBondContact O-N 3.04Å; A76-T78 PolarHBondContact O-OG1 2.92Å
77	S	97.8	Very high	97.8	Very high	36 Å²	36	42.6 Å²	42.6	25%	0.252	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	40.5	-173.3	-59.6	0	0	0	0	112.7	A24 F29 E73 T74	A24-S77 PolarHBondContact N-O 2.72Å; A24-S77 WeakPolarHBondContact O-CB 3.49Å; F29-S77 WeakPolarHBondContact CB-OG 3.39Å; E73-S77 PolarHBondContact O-N 3.01Å; E73-S77 VanDerWaalsContact O-N 3.1Å; T74-S77 PolarHBondContact O-N 2.81Å
78	T	98.6	Very high	97.7	Very high	10 Å²	10	46.5 Å²	46.5	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.1	-172.8	-59.7	0	0	0	0	110.7	C22 K23 L72 E73 A76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.47Å; K23-T78 HydrophobicContact CB-CG2 4.49Å; L72-T78 CarbonylContact C-O 3.59Å; L72-T78 WeakPolarHBondContact CA-O 3.5Å; E73-T78 PolarHBondContact N-O 3Å; E73-T78 PolarHBondContact O-N 2.92Å; E73-T78 VanDerWaalsContact O-N 3.13Å; A76-T78 PolarHBondContact O-N 3.04Å; A76-T78 PolarHBondContact O-OG1 2.92Å; T78-Y80 HydrophobicContact CG2-CD1 4.45Å; T78-Y80 HydrophobicContact CG2-CD2 4.45Å; T78-Y80 HydrophobicContact CG2-CE1 3.84Å; T78-Y80 HydrophobicContact CG2-CE2 3.83Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.48Å
79	A	98.7	Very high	97.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	154.1	170.8	0	0	0	0	0	110.5	S21 C22 F29 M34 W36 S71 L72	S21-A79 CarbonylContact C-O 3.54Å; S21-A79 WeakPolarHBondContact CA-O 3.45Å; C22-A79 PolarHBondContact N-O 2.84Å; C22-A79 PolarHBondContact O-N 2.82Å; F29-A79 HydrophobicContact CZ-CB 4.29Å; M34-A79 HydrophobicContact CB-CB 4.03Å; M34-A79 HydrophobicContact CG-CB 3.61Å; W36-A79 HydrophobicContact CZ2-CB 4.25Å; S71-A79 CarbonylContact O-C 3.59Å; L72-A79 HydrophobicContact CD2-CB 3.4Å; L72-A79 VanDerWaalsContact CD2-CB 3.4Å
80	Y	98.8	Very high	97.3	Very high	43 Å²	43	50.4 Å²	50.4	17%	0.169	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.6	179.2	-55.4	-90.3	0	0	0	111.5	K19 I20 S21 F70 S71 E73 T78	K19-Y80 HydrophobicContact CD-CD1 4.35Å; K19-Y80 VanDerWaalsContact CE-CD1 3.5Å; K19-Y80 VanDerWaalsContact CE-CG 3.48Å; K19-Y80 HydrophobicContact CG-CD1 4.27Å; I20-Y80 CarbonylContact O-C 3.59Å; I20-Y80 WeakPolarHBondContact O-CA 3.18Å; S21-Y80 VanDerWaalsContact CB-CE1 3.46Å; F70-Y80 WeakPolarHBondContact CA-O 3.44Å; S71-Y80 PolarHBondContact N-O 2.8Å; S71-Y80 PolarHBondContact O-N 2.88Å; E73-Y80 HydrophobicContact CB-CE2 3.87Å; E73-Y80 PolarHBondContact OE2-OH 2.77Å; T78-Y80 HydrophobicContact CG2-CD1 4.45Å; T78-Y80 HydrophobicContact CG2-CD2 4.45Å; T78-Y80 HydrophobicContact CG2-CE1 3.84Å; T78-Y80 HydrophobicContact CG2-CE2 3.83Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.48Å
81	L	98.8	Very high	97.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.8	166.7	174.7	57.7	0	0	0	108.6	K19 I20 W36 I48 F68 F70 I83 Y94	K19-L81 CarbonylContact C-O 3.47Å; K19-L81 WeakPolarHBondContact CA-O 3.41Å; I20-L81 HydrophobicContact CB-CB 4.36Å; I20-L81 PolarHBondContact N-O 2.94Å; I20-L81 PolarHBondContact O-N 2.88Å; W36-L81 HydrophobicContact CB-CD2 4.4Å; W36-L81 HydrophobicContact CD2-CB 3.69Å; W36-L81 HydrophobicContact CD2-CD2 4.09Å; W36-L81 HydrophobicContact CD2-CG 4.39Å; W36-L81 HydrophobicContact CE3-CB 3.77Å; W36-L81 HydrophobicContact CE3-CD2 3.8Å; W36-L81 HydrophobicContact CE3-CG 4.41Å; W36-L81 HydrophobicContact CG-CB 4.31Å; W36-L81 HydrophobicContact CG-CD2 4.36Å; W36-L81 HydrophobicContact CH2-CB 3.87Å; W36-L81 HydrophobicContact CZ2-CB 3.81Å; W36-L81 HydrophobicContact CZ3-CB 3.86Å; W36-L81 HydrophobicContact CZ3-CD2 4.37Å; I48-L81 HydrophobicContact CD1-CD2 3.98Å; F68-L81 HydrophobicContact CB-CD1 4.45Å; F68-L81 HydrophobicContact CD1-CD1 3.91Å; F70-L81 HydrophobicContact CD1-CD1 3.67Å; F70-L81 HydrophobicContact CE1-CD1 3.49Å; F70-L81 VanDerWaalsContact CE1-CD1 3.49Å; L81-I83 HydrophobicContact CD1-CG1 4.47Å; L81-I83 HydrophobicContact CD2-CD1 4.39Å; L81-I83 HydrophobicContact CG-CG1 4.15Å; L81-Y94 HydrophobicContact CD2-CD1 3.65Å; L81-Y94 HydrophobicContact CD2-CE1 4.34Å; L81-Y94 HydrophobicContact CD2-CG 4.13Å
82	Q	98.7	Very high	97.1	Very high	65 Å²	65	53.9 Å²	53.9	30%	0.304	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.8	170.3	-172.3	177.3	-59.3	0	0	109.8	T17 V18 F68 A69 S84	T17-Q82 HydrophobicContact CG2-CG 3.48Å; T17-Q82 VanDerWaalsContact CG2-CG 3.48Å; V18-Q82 WeakPolarHBondContact O-CA 3.42Å; F68-Q82 CarbonylContact C-O 3.57Å; F68-Q82 WeakPolarHBondContact CA-O 3.17Å; A69-Q82 HydrophobicContact CB-CB 4.43Å; A69-Q82 PolarHBondContact N-O 3.31Å; A69-Q82 PolarHBondContact O-N 2.95Å; Q82-S84 PolarHBondContact NE2-OG 3.35Å
83	I	98.4	Very high	97.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114	175.5	-44.7	173.8	0	0	0	107	T17 V18 F68 L81 L86 Y94	T17-I83 VanDerWaalsContact CA-O 3.3Å; T17-I83 WeakPolarHBondContact CA-O 3.49Å; T17-I83 WeakPolarHBondContact CG2-O 3.3Å; V18-I83 HydrophobicContact CG1-CB 3.89Å; V18-I83 HydrophobicContact CG1-CD1 4.07Å; V18-I83 HydrophobicContact CG1-CG1 4.12Å; V18-I83 PolarHBondContact N-O 2.86Å; V18-I83 PolarHBondContact O-N 2.81Å; F68-I83 HydrophobicContact CD1-CB 4.48Å; F68-I83 HydrophobicContact CD1-CD1 4.07Å; F68-I83 HydrophobicContact CD1-CG1 3.68Å; F68-I83 HydrophobicContact CD1-CG2 4.29Å; F68-I83 HydrophobicContact CD2-CG2 4.25Å; F68-I83 HydrophobicContact CE1-CB 4.29Å; F68-I83 HydrophobicContact CE1-CD1 3.4Å; F68-I83 HydrophobicContact CE1-CG1 3.51Å; F68-I83 HydrophobicContact CE1-CG2 3.88Å; F68-I83 HydrophobicContact CE2-CG2 3.81Å; F68-I83 HydrophobicContact CG-CG1 4.45Å; F68-I83 HydrophobicContact CG-CG2 4.46Å; F68-I83 HydrophobicContact CZ-CB 4.49Å; F68-I83 HydrophobicContact CZ-CD1 3.98Å; F68-I83 HydrophobicContact CZ-CG1 4.14Å; F68-I83 HydrophobicContact CZ-CG2 3.59Å; L81-I83 HydrophobicContact CD1-CG1 4.47Å; L81-I83 HydrophobicContact CD2-CD1 4.39Å; L81-I83 HydrophobicContact CG-CG1 4.15Å; I83-L86 HydrophobicContact CB-CD2 4.08Å; I83-L86 HydrophobicContact CG2-CD2 3.8Å; I83-Y94 HydrophobicContact CD1-CD1 4.23Å; I83-Y94 HydrophobicContact CD1-CD2 4.39Å; I83-Y94 HydrophobicContact CD1-CE1 3.62Å; I83-Y94 HydrophobicContact CD1-CE2 3.79Å; I83-Y94 WeakPolarHBondContact CD1-OH 3.25Å
84	S	97.4	Very high	97.1	Very high	39 Å²	39	52.4 Å²	52.4	27%	0.273	30%	0.298	S	S	.	.			trans	-97.2	153.4	-179.4	-57.2	0	0	0	0	111	R67 Q82	R67-S84 PolarHBondContact O-N 2.92Å; Q82-S84 PolarHBondContact NE2-OG 3.35Å
85	N	97.2	Very high	97.2	Very high	97 Å²	97	52.8 Å²	52.8	52%	0.519	29%	0.294	S	S	.	.	S	Bend	trans	52.1	58.5	179	-172	30.2	0	0	0	111.3	E16	E16-N85 PolarHBondContact O-N 3.39Å
86	L	97.4	Very high	97.3	Very high	21 Å²	21	47.9 Å²	47.9	11%	0.11	26%	0.26	C	S	.	.			trans	-55.2	141.6	-176.1	-80.4	170.2	0	0	0	111.9	K12 P14 G15 E16 V18 I83 D90	K12-L86 HydrophobicContact CB-CD1 3.56Å; K12-L86 HydrophobicContact CG-CD1 4.12Å; P14-L86 CarbonylContact C-O 3.52Å; P14-L86 VanDerWaalsContact CA-O 3.25Å; P14-L86 WeakPolarHBondContact CA-O 3.38Å; G15-L86 PolarHBondContact N-O 2.97Å; E16-L86 WeakPolarHBondContact O-CB 3.17Å; E16-L86 VanDerWaalsContact O-CG 3.31Å; E16-L86 WeakPolarHBondContact O-CG 3.33Å; E16-L86 PolarHBondContact O-N 3.42Å; V18-L86 HydrophobicContact CB-CD1 4.06Å; V18-L86 HydrophobicContact CG1-CD1 3.99Å; V18-L86 HydrophobicContact CG1-CD2 3.98Å; V18-L86 HydrophobicContact CG1-CG 4.37Å; I83-L86 HydrophobicContact CB-CD2 4.08Å; I83-L86 HydrophobicContact CG2-CD2 3.8Å; L86-D90 HydrophobicContact CD2-CB 3.81Å
87	K	96.2	Very high	97.3	Very high	90 Å²	90	48.3 Å²	48.3	39%	0.391	26%	0.263	S	S	.	.			trans	-120.7	162.3	174.4	-60.7	173.4	-179.9	-176.3	0	109.7	E89 D90	K87-E89 HydrophobicContact CB-CG 3.68Å; K87-E89 HydrophobicContact CD-CG 3.95Å; K87-E89 WeakPolarHBondContact CD-OE1 3.25Å; K87-E89 IonicContact NZ-OE1 2.91Å; K87-E89 PolarHBondContact NZ-OE1 3.1Å; K87-E89 PolarHBondContact O-N 3.13Å; K87-E89 VanDerWaalsContact O-N 3.14Å; K87-D90 PolarHBondContact N-OD2 3.43Å; K87-D90 WeakPolarHBondContact O-CB 3.46Å; K87-D90 PolarHBondContact O-N 3.05Å
88	N	94.5	Very high	96.9	Very high	129 Å²	129	52.1 Å²	52.1	69%	0.69	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-55.5	-34.4	174.9	-66.3	-17.2	0	0	0	112.1	P14 D90 T91	P14-N88 WeakPolarHBondContact CG-OD1 3.35Å; N88-D90 PolarHBondContact O-N 3.24Å; N88-T91 WeakPolarHBondContact O-CB 3.46Å; N88-T91 PolarHBondContact O-N 3.19Å; N88-T91 PolarHBondContact O-OG1 3.07Å
89	E	92.7	Very high	96.8	Very high	118 Å²	118	54.3 Å²	54.3	55%	0.551	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-66.1	-16.4	176.8	62.4	-176.9	-172.2	0	0	114.6	K87 T91	K87-E89 HydrophobicContact CB-CG 3.68Å; K87-E89 HydrophobicContact CD-CG 3.95Å; K87-E89 WeakPolarHBondContact CD-OE1 3.25Å; K87-E89 IonicContact NZ-OE1 2.91Å; K87-E89 PolarHBondContact NZ-OE1 3.1Å; K87-E89 PolarHBondContact O-N 3.13Å; K87-E89 VanDerWaalsContact O-N 3.14Å; E89-T91 PolarHBondContact O-N 2.56Å
90	D	95.7	Very high	96.8	Very high	9 Å²	9	57.1 Å²	57.1	5%	0.048	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-81.7	-1.9	176	-60.5	-47.1	0	0	0	112.4	R67 L86 K87 N88 A92 Y94	R67-D90 IonicContact CZ-OD1 3.21Å; R67-D90 IonicContact CZ-OD2 2.72Å; R67-D90 VanDerWaalsContact NH1-CG 3.34Å; R67-D90 IonicContact NH1-OD1 2.98Å; R67-D90 PolarHBondContact NH1-OD1 3.41Å; R67-D90 IonicContact NH1-OD2 3.61Å; R67-D90 PolarHBondContact NH1-OD2 2.73Å; R67-D90 IonicContact NH2-OD1 3.46Å; R67-D90 PolarHBondContact NH2-OD1 3.3Å; R67-D90 IonicContact NH2-OD2 2.78Å; L86-D90 HydrophobicContact CD2-CB 3.81Å; K87-D90 PolarHBondContact N-OD2 3.43Å; K87-D90 WeakPolarHBondContact O-CB 3.46Å; K87-D90 PolarHBondContact O-N 3.05Å; N88-D90 PolarHBondContact O-N 3.24Å; D90-A92 PolarHBondContact O-N 3.23Å; D90-Y94 WeakPolarHBondContact O-CE2 3.41Å; D90-Y94 PolarHBondContact O-OH 3.13Å
91	T	96.1	Very high	96.6	Very high	106 Å²	106	57.9 Å²	57.9	65%	0.65	30%	0.304	S	S	*	.			trans	-66	102.9	176	-54	0	0	0	0	110.3	N88 E89	N88-T91 WeakPolarHBondContact O-CB 3.46Å; N88-T91 PolarHBondContact O-N 3.19Å; N88-T91 PolarHBondContact O-OG1 3.07Å; E89-T91 PolarHBondContact O-N 2.56Å
92	A	96.9	Very high	96.5	Very high	27 Å²	27	61.3 Å²	61.3	22%	0.223	32%	0.322	C	S	.	.	S	Bend	trans	-159.4	165.9	-174.3	0	0	0	0	0	111.3	Q38 K39 M40 D90 Y94	Q38-A92 HydrophobicContact CG-CB 3.37Å; K39-A92 WeakPolarHBondContact O-CA 3.48Å; K39-A92 WeakPolarHBondContact O-CB 3.48Å; M40-A92 HydrophobicContact CG-CB 3.95Å; D90-A92 PolarHBondContact O-N 3.23Å; A92-Y94 HydrophobicContact CB-CE2 3.98Å
93	T	97.6	Very high	96.4	Very high	76 Å²	76	61.1 Å²	61.1	47%	0.466	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.5	161.6	-48.4	0	0	0	0	108.8	K39 F95	K39-T93 PolarHBondContact N-O 3.07Å; K39-T93 PolarHBondContact O-N 3.37Å; T93-F95 HydrophobicContact CG2-CD2 4.24Å; T93-F95 HydrophobicContact CG2-CE1 3.89Å; T93-F95 HydrophobicContact CG2-CE2 3.52Å; T93-F95 HydrophobicContact CG2-CZ 3.32Å
94	Y	98.3	Very high	96.2	Very high	20 Å²	20	65.1 Å²	65.1	8%	0.078	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132	176.9	-66.4	-87.1	0	0	0	109.1	Q6 I20 V37 Q38 I48 F68 L81 I83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.28Å; I20-Y94 HydrophobicContact CD1-CD2 3.66Å; I20-Y94 HydrophobicContact CD1-CG 3.75Å; V37-Y94 CarbonylContact O-C 3.48Å; V37-Y94 WeakPolarHBondContact O-CA 3.35Å; Q38-Y94 HydrophobicContact CB-CD1 4.24Å; Q38-Y94 HydrophobicContact CB-CE1 3.99Å; Q38-Y94 HydrophobicContact CG-CD1 4.24Å; Q38-Y94 HydrophobicContact CG-CE1 3.68Å; Q38-Y94 PolarHBondContact NE2-OH 2.95Å; I48-Y94 HydrophobicContact CD1-CD1 3.64Å; I48-Y94 HydrophobicContact CD1-CE1 3.87Å; F68-Y94 AromaticContact CE1-CE1 3.8Å; F68-Y94 HydrophobicContact CE1-CE1 3.8Å; F68-Y94 HydrophobicContact CZ-CE1 4.47Å; L81-Y94 HydrophobicContact CD2-CD1 3.65Å; L81-Y94 HydrophobicContact CD2-CE1 4.34Å; L81-Y94 HydrophobicContact CD2-CG 4.13Å; I83-Y94 HydrophobicContact CD1-CD1 4.23Å; I83-Y94 HydrophobicContact CD1-CD2 4.39Å; I83-Y94 HydrophobicContact CD1-CE1 3.62Å; I83-Y94 HydrophobicContact CD1-CE2 3.79Å; I83-Y94 WeakPolarHBondContact CD1-OH 3.25Å; D90-Y94 WeakPolarHBondContact O-CE2 3.41Å; D90-Y94 PolarHBondContact O-OH 3.13Å; A92-Y94 HydrophobicContact CB-CE2 3.98Å
95	F	98.3	Very high	96.2	Very high	80 Å²	80	67 Å²	67	35%	0.351	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.9	179.3	-65.4	-77.8	0	0	0	110.1	W36 V37 K39 F45 T93	W36-F95 CarbonylContact C-O 3.57Å; W36-F95 WeakPolarHBondContact CA-O 3.39Å; V37-F95 PolarHBondContact N-O 3.47Å; V37-F95 PolarHBondContact O-N 2.96Å; K39-F95 HydrophobicContact CB-CD2 4.17Å; K39-F95 HydrophobicContact CB-CE2 3.75Å; K39-F95 HydrophobicContact CD-CE2 3.96Å; F45-F95 HydrophobicContact CE1-CD2 4.08Å; F45-F95 HydrophobicContact CE1-CE2 4.04Å; T93-F95 HydrophobicContact CG2-CD2 4.24Å; T93-F95 HydrophobicContact CG2-CE1 3.89Å; T93-F95 HydrophobicContact CG2-CE2 3.52Å; T93-F95 HydrophobicContact CG2-CZ 3.32Å
96	C	98.5	Very high	96.1	Very high	11 Å²	11	64.7 Å²	64.7	7%	0.074	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	148.9	161.2	64	0	0	0	0	110.3	Q6 C22 M34 Q35 W36	Q6-C96 WeakPolarHBondContact CG-SG 3.49Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.3Å; C22-C96 WeakPolarHBondContact SG-CB 3.34Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.17Å; M34-C96 HydrophobicContact CG-CB 4.46Å; M34-C96 HydrophobicContact SD-CB 3.76Å; Q35-C96 CarbonylContact O-C 3.55Å; Q35-C96 VanDerWaalsContact O-CA 3.26Å; Q35-C96 WeakPolarHBondContact O-CA 3.37Å; W36-C96 HydrophobicContact CD2-CB 4.27Å; W36-C96 HydrophobicContact CE3-CB 3.9Å; W36-C96 HydrophobicContact CH2-CB 3.9Å; W36-C96 HydrophobicContact CZ2-CB 4.22Å; W36-C96 HydrophobicContact CZ3-CB 3.72Å
97	A	97.3	Very high	96	Very high	37 Å²	37	68.3 Å²	68.3	31%	0.306	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.3	176.6	0	0	0	0	0	110.9	Q35	Q35-A97 HydrophobicContact CB-CB 4.33Å; Q35-A97 PolarHBondContact N-O 2.88Å; Q35-A97 PolarHBondContact O-N 2.85Å
98	R	89.7	Confident	96	Very high	117 Å²	117	66.4 Å²	66.4	44%	0.442	35%	0.353	S	S	.	.			trans	-123.5	0	170.4	172.9	164.5	-177.3	-117.9	10.8	109.9	Y27 T31 A32	Y27-R98 VanDerWaalsContact CB-NH1 3.31Å; Y27-R98 VanDerWaalsContact CG-CZ 3.48Å; Y27-R98 WeakPolarHBondContact OH-CD 3.44Å; T31-R98 PolarHBondContact OG1-NH2 3.31Å; A32-R98 HydrophobicContact CB-CG 4.15Å

Retrieved 98 of 98 residues in 90.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).